methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate

C7H12N2O2 — CID 45082182

IUPACmethyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate
SMILESCOC(=O)C1N=C(C)NC1C
InChIInChI=1S/C7H12N2O2/c1-4-6(7(10)11-3)9-5(2)8-4/h4,6H,1-3H3,(H,8,9)
InChIKeyKVILWPRZUNHTLQ-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.06
Rot. Bonds1

About methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate

methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate (PubChem CID 45082182) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate
PubChem CID45082182
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Namemethyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate
SMILESCOC(=O)C1N=C(C)NC1C
InChIInChI=1S/C7H12N2O2/c1-4-6(7(10)11-3)9-5(2)8-4/h4,6H,1-3H3,(H,8,9)
InChIKeyKVILWPRZUNHTLQ-UHFFFAOYSA-N
XLogP-0.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate (CID 45082182) is methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate is COC(=O)C1N=C(C)NC1C.
What is the InChIKey of methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate?
The InChIKey is KVILWPRZUNHTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4-6(7(10)11-3)9-5(2)8-4/h4,6H,1-3H3,(H,8,9).
What are the key properties of methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate?
methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate has a molecular weight of 156.18 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate is sourced from PubChem (CID 45082182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).